TABLE 1.
Data collection and processing statistics PDB, Protein Data Bank; SSRL, Stanford Synchrotron Radiation Laboratory.
| Complex | Felodipine | Montelukast | 9-cis-Retinoic Acid | Troglitazone |
|---|---|---|---|---|
| PDB code | 2nnj | 2nni | 2nnh | 2vn0 |
| Space group | I222 | I222 | P21212 | I222 |
| Used wavelength (Å) | 0.98 | 1.5418 | 0.98 | 0.98 |
| Resolution limit (Å)a | 2.28 (2.35–2.28) | 2.80 (2.9–2.8) | 2.60 (2.67–2.60) | 2.70 (2.77–2.70) |
| Cell parameters | a = 74.41, b = 139.22, c = 163.23 Å | a = 74.14, b = 140.52, c = 164.54 Å | a = 139.81, b = 163.62, c = 73.56 Å | a = 74.20, b = 136.09, c = 163.24 Å |
| X-ray source | BL1-5 SSRL | Rotating anode Cu target | BL11-1 SSRL | BL9-1 SSRL |
| Total observations | 281,119 | 98,893 | 357,238 | 181,911 |
| Unique reflectionsa | 38,962 | 21,514 | 51,297 | 23,135 |
| Completeness of all data (%)a | 99.6 (97.6) | 99.6 (97.8) | 97.7 (97.4) | 100.0 (100.0) |
| Redundancya | 7.2 (7.4) | 4.6 (4.4) | 7.0 (7.2) | 7.9 (8.0) |
| Mean I/σa | 8.7 (1.8) | 11.9 (3.7) | 7.7 (1.7) | 7.5 (1.5) |
| Rsym valuea,b | 0.063 (0.381) | 0.079 (0.38) | 0.079 (0.45) | 0.065 (0.52) |
a
Values in parentheses indicate data in the highest resolution shell
b
Rsym = ΣhΣj|〈I(h)|〉 – I(h)j|/ΣhΣj|〈I(h)|〉, where I(h) is the intensity of an individual reflection, and |〈I(h)|〉 is the mean intensity of that reflection